1-O-Methyl-beta-D-glucuronic acid, sodium salt

C7H11NaO7CAS 134253-42-2230.15 g/mol

Open in Covalent MOL file
OOOO−OHOHHONa+
AcetalAlcoholCarboxylic acidEther

Properties

Molecular formula
C7H11NaO7
Molar mass
230.15 g/mol
Exact mass
230.0402 Da
logP
-6.81Crippen estimate
Polar surface area
119.3 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
2
Stereocentres
R, R, S, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
134253-42-2
SMILES
CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)[O-])O)O)O.[Na+]
InChIKey
MSQCUKVSFZTPPA-UDGZVUODSA-M
InChI
InChI=1S/C7H12O7.Na/c1-13-7-4(10)2(8)3(9)5(14-7)6(11)12;/h2-5,7-10H,1H3,(H,11,12);/q;+1/p-1/t2-,3-,4+,5-,7+;/m0./s1

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Work with 1-O-Methyl-beta-D-glucuronic acid, sodium salt

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

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Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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